6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid

C15H20N2O4 — CID 122057048

IUPAC6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid
SMILESCC1CN(c2cccc(C(=O)O)n2)CC2(CCOCC2)O1
InChIInChI=1S/C15H20N2O4/c1-11-9-17(10-15(21-11)5-7-20-8-6-15)13-4-2-3-12(16-13)14(18)19/h2-4,11H,5-10H2,1H3,(H,18,19)
InChIKeyIQSPJGNUXVZUIO-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.55
Rot. Bonds2

About 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid

6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid (PubChem CID 122057048) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid
PubChem CID122057048
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid
SMILESCC1CN(c2cccc(C(=O)O)n2)CC2(CCOCC2)O1
InChIInChI=1S/C15H20N2O4/c1-11-9-17(10-15(21-11)5-7-20-8-6-15)13-4-2-3-12(16-13)14(18)19/h2-4,11H,5-10H2,1H3,(H,18,19)
InChIKeyIQSPJGNUXVZUIO-UHFFFAOYSA-N
XLogP1.55
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid (CID 122057048) is 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid is CC1CN(c2cccc(C(=O)O)n2)CC2(CCOCC2)O1.
What is the InChIKey of 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid?
The InChIKey is IQSPJGNUXVZUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-9-17(10-15(21-11)5-7-20-8-6-15)13-4-2-3-12(16-13)14(18)19/h2-4,11H,5-10H2,1H3,(H,18,19).
What are the key properties of 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid?
6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122057048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).